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4-Bromo-2-chlorobenzyl Bromide

4-Bromo-2-chlorobenzyl Bromide - CAS 89720-77-4

Catalog:	BB039580
Product Name:	4-Bromo-2-chlorobenzyl Bromide
CAS:	89720-77-4
Synonyms:	4-bromo-1-(bromomethyl)-2-chlorobenzene; 4-bromo-1-(bromomethyl)-2-chlorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-(bromomethyl)-2-chlorobenzene
Description:	4-Bromo-2-chlorobenzyl Bromide (CAS# 89720-77-4) is used in the preparation of selective aldose reductase inhibitors.
Molecular Weight:	284.38
Molecular Formula:	C7H5Br2Cl
Canonical SMILES:	C1=CC(=C(C=C1Br)Cl)CBr
InChI:	InChI=1S/C7H5Br2Cl/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChI Key:	DYPSDTOQOSPYOT-UHFFFAOYSA-N
LogP:	3.99740

Publication Number	Title	Priority Date
CN-112608320-A	Piperidine compound and preparation method and medical application thereof	20200116
WO-2021143792-A1	Piperidine compound, preparation method therefor and medical use thereof	20200116
US-2020131144-A1	Amine or (thio)amide containing lxr modulators	20170718
JP-2019006759-A	Method for producing aromatic compound	20170626
US-2019345139-A1	Histone methyltransferase ezh2 inhibitor, preparation method and pharmaceutical use thereof	20170125

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Related Functional Groups

Halides

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1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.84260
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.84465
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1